CAS RN: 26081-03-8
(R)-3-AMINOAZEPAN-2-ONE HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-122941
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 0.1g, 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
26081-03-8 / [(3R)-2-oxoazepan-3-yl]azanium chloride
Basic Information
CAS
26081-03-8
Multi CAS
No
Molecular Formula
C6H13ClN2O
Molecular Weight
164.630000
Exact Mass
164.071641
SMILES
C1CCNC(=O)[C@@H](C1)[NH3+].[Cl-]
InChI
InChI=1S/C6H12N2O.ClH/c7-5-3-1-2-4-8-6(5)9;/h5H,1-4,7H2,(H,8,9);1H/t5-;/m1./s1
InChIKey
LWXJCGXAYXXXRU-NUBCRITNSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.83
H-bond acceptors
1
H-bond donors
2
Molar refractivity
33.54
TPSA
56.74
LogP / Solubility
WLOGP
-4.1
MLOGP
-3.61
XLogP3
-4.1
Consensus LogP
-3.94
Log S (ESOL)
1.72
Class (ESOL)
Highly soluble
Log S (Ali)
2.05
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.67
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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